1-(1-fluoroethyl)-2,3-di(propan-2-yl)cyclohexane

C14H27F — CID 175612345

IUPAC1-(1-fluoroethyl)-2,3-di(propan-2-yl)cyclohexane
SMILESCC(C)C1CCCC(C(C)F)C1C(C)C
InChIInChI=1S/C14H27F/c1-9(2)12-7-6-8-13(11(5)15)14(12)10(3)4/h9-14H,6-8H2,1-5H3
InChIKeyBEUZANYMEIFNGT-UHFFFAOYSA-N
MW214.37 g/mol
LogP4.69
Rot. Bonds3

About 1-(1-fluoroethyl)-2,3-di(propan-2-yl)cyclohexane

1-(1-fluoroethyl)-2,3-di(propan-2-yl)cyclohexane (PubChem CID 175612345) has the molecular formula C14H27F and a molecular weight of 214.37 g/mol. Its IUPAC name is 1-(1-fluoroethyl)-2,3-di(propan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-(1-fluoroethyl)-2,3-di(propan-2-yl)cyclohexane
PubChem CID175612345
Molecular FormulaC14H27F
Molecular Weight214.37 g/mol
Exact Mass214.21
IUPAC Name1-(1-fluoroethyl)-2,3-di(propan-2-yl)cyclohexane
SMILESCC(C)C1CCCC(C(C)F)C1C(C)C
InChIInChI=1S/C14H27F/c1-9(2)12-7-6-8-13(11(5)15)14(12)10(3)4/h9-14H,6-8H2,1-5H3
InChIKeyBEUZANYMEIFNGT-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethyl)-2,3-di(propan-2-yl)cyclohexane?
The IUPAC name of 1-(1-fluoroethyl)-2,3-di(propan-2-yl)cyclohexane (CID 175612345) is 1-(1-fluoroethyl)-2,3-di(propan-2-yl)cyclohexane.
What is the SMILES notation for 1-(1-fluoroethyl)-2,3-di(propan-2-yl)cyclohexane?
The canonical SMILES for 1-(1-fluoroethyl)-2,3-di(propan-2-yl)cyclohexane is CC(C)C1CCCC(C(C)F)C1C(C)C.
What is the InChIKey of 1-(1-fluoroethyl)-2,3-di(propan-2-yl)cyclohexane?
The InChIKey is BEUZANYMEIFNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F/c1-9(2)12-7-6-8-13(11(5)15)14(12)10(3)4/h9-14H,6-8H2,1-5H3.
What are the key properties of 1-(1-fluoroethyl)-2,3-di(propan-2-yl)cyclohexane?
1-(1-fluoroethyl)-2,3-di(propan-2-yl)cyclohexane has a molecular weight of 214.37 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethyl)-2,3-di(propan-2-yl)cyclohexane is sourced from PubChem (CID 175612345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).